Simulation experiment of adsorbing uranium compounds on solid surface

Nanoparticles containing uranium compound have been observed at nuclear facilities. A nanoparticle collide with solid surface can lead to adsorption. Then the nanoparticle is trapped at planar defect in a crystal surface. We are interested in studying for adsorption process from the point of view of nuclear material balance. As far as I known, accumulate mechanism has not yet been clarified. In this study, the simulation code was developed based on simple physical model with Molecular Dynamics method. Adsorption process has been investigated at the molecular level by the simulation experiment. Collision process is simulated under the several parameters to analyze dynamic behavior. A result showed that adsorption characteristics of nanoparticle are influenced by the collision velocity, width of planar defect and interactive force between nanoparticle and constituent particle of solid surface. (author)